(2R,4R)-4-(二苯基膦基)-2-[(二苯基膦基)甲基]-吡咯烷 | 77450-05-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (2R,4R)-4-(二苯基膦基)-2-[(二苯基膦基)甲基]-吡咯烷
• 中文别名: (2R,4R)-(+)-2-(二苯基膦基甲基)-4-(二苯基膦基)吡咯烷；(2R,4R) - (+)-2-(二苯基膦基甲基)-4-(二苯基膦基)吡咯烷
• 英文名称: (2R,4R)-4-(Diphenylphosphino)-2-<(diphenylphosphino)methyl>pyrrolidine
• 英文别名: (2R,4R)-4-(diphenylphosphino)-2-[(diphenylphosphino)methyl]pyrrolidine；(2R,4R)-(+)-2-(Diphenylphosphinomethyl)-4-(diphenylphosphino)pyrrolidine；[(3R,5R)-5-(diphenylphosphanylmethyl)pyrrolidin-3-yl]-diphenylphosphane
• CAS: 77450-05-6
• 化学式: C₂₉H₂₉NP₂
• 分子量: 453.503
• InChiKey: PQHKXSOICTYGQD-FUFSCUOVSA-N

物化性质

• 沸点：
  575.8±35.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2933990090

SDS

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Section 1: Product Identification
Chemical Name: (2R,4R)-(+)-2-(Diphenylphosphinomethyl)-4-(diphenylphosphino)pyrrolidine, min. 97% (R,R-PPM)
CAS Registry Number: 77450-05-6
Formula: C29H29NP2
EINECS Number: none
Chemical Family: organophosphine ligand
Synonym: (R,R-PPM); (2R,4R)-4-(diphenylphosphino)-2-((diphenylphosphino)methyl)pyrrolidine

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Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title compound 77450-05-6 100% no data no data

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Section 3: Hazards Identification
Emergency Overview: Irritating to skin, eyes and respiratory tract. May be harmful if swallowed.
Primary Routes of Exposure: Ingestion, inhalation
Eye Contact: Causes slight to mild irritation of the eyes.
Skin Contact: Causes slight to mild irritation of the skin.
Inhalation: Irritating to the nose, mucous membranes and respiratory tract.
Ingestion: No information available on the physiological effects of ingestion. May be harmful if swallowed.
Acute Health Affects: Irritating to skin, eyes and respiratory tract.
Chronic Health Affects: No information on long-term chronic effects.
NTP: No
IARC: No
OSHA: No

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SECTION 4: First Aid Measures
Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
Eye Exposure:
assistance in keeping their eye lids open. Get immediate medical attention.
Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if
Skin Exposure:
irritation persists.
Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty
Inhalation:
in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance.
Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce
Ingestion:
vomiting only if directed by medical personnel.

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SECTION 5: Fire Fighting Measures
Flash Point: not applicable
Autoignition Temperature: no data
Explosion Limits: no data
Extinguishing Medium: carbon dioxide, dry powder or foam
If this product is involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure
Special Fire Fighting Procedures:
self-contained breathing apparatus and full protective clothing.
Hazardous Combustion and If involved in a fire this material may emit irritating fumes.
Decomposion Products:
Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

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SECTION 6: Accidental Release Measures
Small spills can be mixed with vermiculite, sodium carbonate or other suitable non-combustible adsorbent and
Spill and Leak Procedures:
swept up.

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SECTION 7: Handling and Storage
Store in a tightly sealed container under an inert atmosphere of nitrogen or argon. Keep in a cool, dry,
Handling and Storage:
well-ventillated area.

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SECTION 8: Exposure Controls and Personal Protection
Eye Protection: Always wear approved safety glasses when handling a chemical substance in the laboratory.
Skin Protection: Wear protective clothing and gloves.
Ventilation: Handle the material in an efficient fume hood.
If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator
Respirator:
Protection Program to be in compliance with 29 CFR 1910.134.
Ventilation: Handle the material in an efficient fume hood.
Additional Protection: No additional protection required.

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SECTION 9: Physical and Chemical Properties
Color and Form: white powder
Molecular Weight: 453.5
Melting Point: no data
Boiling Point: no data
Vapor Pressure: no data
Specific Gravity: no data
Odor: none
Solubility in Water: insoluble

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SECTION 10: Stability and Reactivity
Stability: air sensitive
Hazardous Polymerization: no hazardous polymerization
Conditions to Avoid: prolonged exposure to air
Incompatibility: strong oxidizing agents
Decomposition Products: carbon monoxide, carbon dioxide, phorsphorous oxides and organic fumes

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SECTION 11: Toxicological Information
RTECS Data: No information available in the RTECS files.
Carcinogenic Effects: no data
Mutagenic Effects: no data
Tetratogenic Effects: no data

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SECTION 12: Ecological Information
Ecological Information: No information available

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SECTION 13: Disposal Considerations
Disposal: Dispose of according to local, state and federal regulations.

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SECTION 14: Transportation
Shipping Name (CFR): Non-hazardous
Hazard Class (CFR): NA
Additional Hazard Class (CFR): NA
Packaging Group (CFR): NA
UN ID Number (CFR): NA
Shipping Name (IATA): Non-hazardous
Hazard Class (IATA): NA
Additional Hazard Class (IATA): NA
Packaging Group (IATA): NA
UN ID Number (IATA): NA

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SECTION 15: Regulatory Information
TSCA: Not listed in the TSCA inventory
SARA (Title 313): Not reportable under SARA 313
Second Ingredient: none

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  (2R,4R)-4-(二苯基膦基)-2-[(二苯基膦基)甲基]-吡咯烷 、 丙烯酰氯 在 sodium hydroxide 作用下， 以 甲苯 为溶剂， 以28%的产率得到N-Acryloyl-(2R,4R)-4-(diphenylphosphino)-2-<(diphenylphosphino)methyl>pyrrolidine
  参考文献：
  名称：

  Transition-metal-catalyzed asymmetric organic synthesis via polymer-attached optically active phosphine ligands. 5. Preparation of amino acids in high optical yield via catalytic hydrogenation

  摘要：

  DOI：

  10.1021/jo00327a023
• 作为产物：
  描述：

  (4S)-1-乙酰基-4-羟基-D-脯氨酸 在 盐酸 、 锂硼氢 、 氨 、 sodium 、 三乙胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 吡啶 、 水 为溶剂， 生成 (2R,4R)-4-(二苯基膦基)-2-[(二苯基膦基)甲基]-吡咯烷
  参考文献：
  名称：

  Transition-metal-catalyzed asymmetric organic synthesis via polymer-attached optically active phosphine ligands. 5. Preparation of amino acids in high optical yield via catalytic hydrogenation

  摘要：

  DOI：

  10.1021/jo00327a023

文献信息

• Asymmetric Hydrogenation of 2-Benzylidenesuccinic Acid 4-[(4-BOC-amino)-1-piperidide] Monoamide: Key Step in a Process for Large Scale Preparation of a Renin Inhibitor
  作者：Heiner Jendralla

  DOI：10.1055/s-1994-25511

  日期：——

  The N-terminal component 4 of an orally active renin inhibitor is prepared on kg-scale by asymmetric hydrogenation of the title compound 3. Enantioselectivities of several homogeneous homochiral rhodium(I)- and ruthenium(II)-diphosphine catalysts are compared.

  一种口服活性肾素抑制剂的 N 端成分 4 是通过标题化合物 3 的不对称氢化在公斤级规模上制备的。比较了几种同质同手性铑（I）-和钌（II）-二膦催化剂的对映选择性。
• [EN] METHOD FOR PRODUCING AMIDINE DERIVATIVES<br/>[FR] PROCÉDÉ DE PRODUCTION DE DÉRIVÉS D'AMIDINE
  申请人：BIOCRYST PHARM INC

  公开号：WO2016029216A2

  公开（公告）日：2016-02-25

  The invention provides methods and intermediates useful in the synthesis of a compound of formula (I): or a pharmaceutically acceptable salt, solvate, ester or prodrug thereof; wherein the variables are as defined herein.

  本发明提供了用于合成式(I)化合物的方法和中间体，或其药学上可接受的盐、溶剂和前药酯；其中变量如本文所定义。
• Verfahren zur Herstellung von optisch aktivem 3-Chinuclidinol
  申请人：LONZA AG

  公开号：EP0785198B1

  公开（公告）日：2000-07-05
• US5744606A
  申请人：——

  公开号：US5744606A

  公开（公告）日：1998-04-28
• Transition-metal-catalyzed asymmetric organic synthesis via polymer-attached optically active phosphine ligands. 5. Preparation of amino acids in high optical yield via catalytic hydrogenation
  作者：Gregory L. Baker、Scott J. Fritschel、John R. Stille、John K. Stille

  DOI：10.1021/jo00327a023

  日期：1981.7